338966-53-3
Product Name:
METHYL 3-(2-CHLORO-6-FLUOROPHENYL)-5-[2-(DIMETHYLAMINO)-1-(2,2,2-TRIFLUOROACETYL)VINYL]-4-ISOXAZOLECARBOXYLATE
Formula:
C17H13ClF4N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 420.7 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 420.0499972 g/mol |
| Monoisotopic Mass | 420.0499972 g/mol |
| Topological Polar Surface Area | 72.6 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 629 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |